disodium;hydride;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;[3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenyl] 2-methylpropyl carbonate;oxido formate

C32H32N10Na2O9 — CID 158698759

About disodium;hydride;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;[3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenyl] 2-methylpropyl carbonate;oxido formate

disodium;hydride;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;[3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenyl] 2-methylpropyl carbonate;oxido formate (PubChem CID 158698759) has the molecular formula C32H32N10Na2O9 and a molecular weight of 746.65 g/mol. Its IUPAC name is disodium;hydride;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;[3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenyl] 2-methylpropyl carbonate;oxido formate.

Molecular Properties

• Compound Name: disodium;hydride;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;[3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenyl] 2-methylpropyl carbonate;oxido formate
• PubChem CID: 158698759
• Molecular Formula: C32H32N10Na2O9
• Molecular Weight: 746.65 g/mol
• Exact Mass: 746.21
• IUPAC Name: disodium;hydride;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;[3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenyl] 2-methylpropyl carbonate;oxido formate
• SMILES: Cc1cc(O)cc(-c2ncn(/C=C\c3nnco3)n2)c1.Cc1cc(OC(=O)OCC(C)C)cc(-c2ncn(/C=C\c3nnco3)n2)c1.O=CO[O-].[H-].[Na+].[Na+]
• InChI: InChI=1S/C18H19N5O4.C13H11N5O2.CH2O3.2Na.H/c1-12(2)9-25-18(24)27-15-7-13(3)6-14(8-15)17-19-10-23(22-17)5-4-16-21-20-11-26-16;1-9-4-10(6-11(19)5-9)13-14-7-18(17-13)3-2-12-16-15-8-20-12;2-1-4-3;;;/h4-8,10-12H,9H2,1-3H3;2-8,19H,1H3;1,3H;;;/q;;;2*+1;-1/p-1/b5-4-;3-2-
• InChIKey: ZHAMNFNLXWLNMY-GVNSPJGTSA-M
• XLogP: -2.04
• TPSA: 244.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 10
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	746.65
LogP ≤ 5	-2.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;hydride;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;[3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenyl] 2-methylpropyl carbonate;oxido formate?

The IUPAC name of disodium;hydride;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;[3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenyl] 2-methylpropyl carbonate;oxido formate (CID 158698759) is disodium;hydride;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;[3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenyl] 2-methylpropyl carbonate;oxido formate.

What is the SMILES notation for disodium;hydride;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;[3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenyl] 2-methylpropyl carbonate;oxido formate?

The canonical SMILES for disodium;hydride;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;[3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenyl] 2-methylpropyl carbonate;oxido formate is Cc1cc(O)cc(-c2ncn(/C=C\c3nnco3)n2)c1.Cc1cc(OC(=O)OCC(C)C)cc(-c2ncn(/C=C\c3nnco3)n2)c1.O=CO[O-].[H-].[Na+].[Na+].

What is the InChIKey of disodium;hydride;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;[3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenyl] 2-methylpropyl carbonate;oxido formate?

The InChIKey is ZHAMNFNLXWLNMY-GVNSPJGTSA-M. The full InChI is InChI=1S/C18H19N5O4.C13H11N5O2.CH2O3.2Na.H/c1-12(2)9-25-18(24)27-15-7-13(3)6-14(8-15)17-19-10-23(22-17)5-4-16-21-20-11-26-16;1-9-4-10(6-11(19)5-9)13-14-7-18(17-13)3-2-12-16-15-8-20-12;2-1-4-3;;;/h4-8,10-12H,9H2,1-3H3;2-8,19H,1H3;1,3H;;;/q;;;2*+1;-1/p-1/b5-4-;3-2-;;;;.

What are the key properties of disodium;hydride;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;[3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenyl] 2-methylpropyl carbonate;oxido formate?

disodium;hydride;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;[3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenyl] 2-methylpropyl carbonate;oxido formate has a molecular weight of 746.65 g/mol, XLogP of -2.04, 10 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;hydride;3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenol;[3-methyl-5-[1-[(Z)-2-(1,3,4-oxadiazol-2-yl)ethenyl]-1,2,4-triazol-3-yl]phenyl] 2-methylpropyl carbonate;oxido formate is sourced from PubChem (CID 158698759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).